N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-4-phenyl-butanamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-4-phenyl-butanamide Openeye Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-4-phenyl-butanamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]anilino]-sulfanylidenemethyl]-4-phenylbutanamide IUPAC Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-4-phenylbutanamide Traditional Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]thiocarbamoyl]-4-phenyl-butyramide Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CC=C(C=C3)NC(=S)NC(=O)CCCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CC=C(C=C3)NC(=S)NC(=O)CCCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H26N4O4S/c1-33-23-15-21-22(16-24(23)34-2)28-17-29-26(21)35-20-13-11-19(12-14-20)30-27(36)31-25(32)10-6-9-18-7-4-3-5-8-18/h3-5,7-8,11-17H,6,9-10H2,1-2H3,(H2,30,31,32,36)